S
Sandra Döpking
Researcher at Free University of Berlin
Publications - 4
Citations - 51
Sandra Döpking is an academic researcher from Free University of Berlin. The author has contributed to research in topics: Kinetic Monte Carlo & Sparse grid. The author has an hindex of 2, co-authored 4 publications receiving 36 citations.
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Addressing global uncertainty and sensitivity in first-principles based microkinetic models by an adaptive sparse grid approach.
Sandra Döpking,Craig P. Plaisance,D. Strobusch,Karsten Reuter,Christoph Scheurer,Sebastian Matera +5 more
TL;DR: This work addresses the propagation of sizable errors from the use of approximate Density Functional Theory to the catalytic turnover frequency (TOF) by global sensitivity and uncertainty analysis and opens the way for a global sensitivity analysis of more complex models, for instance, models based on kinetic Monte Carlo simulations.
Journal ArticleDOI
Error propagation in first-principles kinetic Monte Carlo simulation
Sandra Döpking,Sebastian Matera +1 more
TL;DR: A novel, efficient approach to global sensitivity analysis is demonstrated, with which it is found that the most important atomistic factors for reactivity can still derive, albeit the errors in the simulation results are sizable.
Journal ArticleDOI
Field Heterogeneities and Their Impact on Photocatalysis: Combining Optical and Kinetic Monte Carlo Simulations on the Nanoscale
TL;DR: Gaining insights into the working principles of photocatalysts on an atomic scale is a challenging task as discussed by the authors, due to the high complexity of the reaction mechanism involving photoexcited electrons and
Posted Content
Multilevel Adaptive Sparse Grid Quadrature for Monte Carlo models
Sandra Döpking,Sebastian Matera +1 more
TL;DR: This work presents a Multilevel Adaptive Sparse Grid strategy for the numerical integration of such problems where the integrand is implicitly defined by a Monte Carlo model, and finds significant savings compared to the single level approach.